SCHEMBL25980381

SCHEMBL25980381

Cc1ccc(C(=O)c2ccc(C(=O)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.76
LMNA P02545 3/20 0.76
SRD5A2 P31213 2/20 0.64
ACHE P22303 1/20 0.62
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
AKR1C3 P42330 1/20 0.48
PKM P14618 2/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6323387 1.00 ALDH1A1 (0.76) ALDH1A1LMNASRD5A2ACHECES2
SCHEMBL17296970 0.88 TEAD4 (0.70) ALDH1A1LMNASRD5A2ACHESMN1; SMN2
SCHEMBL15294828 0.88 TEAD4 (0.70) ALDH1A1LMNASRD5A2ACHESMN1; SMN2
SCHEMBL17297293 0.88 TEAD4 (0.70) ALDH1A1LMNASRD5A2ACHESMN1; SMN2
SCHEMBL9097535 0.87 CA12 (0.59) ALDH1A1LMNASRD5A2MAPTCA2
SCHEMBL62657 0.87 CA12 (0.59) ALDH1A1LMNASRD5A2MAPTCA2
SCHEMBL204877 0.87 CA12 (0.59) ALDH1A1LMNASRD5A2MAPTCA2
SCHEMBL52200 0.87 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
SCHEMBL822185 0.87 ALDH1A1 (1.00) ALDH1A1LMNASRD5A2CES2CES1
Hydrochloric Acid SCHEMBL8640288 0.85 CA12 (0.57) ALDH1A1LMNASRD5A2MAPTCA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312812-A1 EPOXY RESIN THE BOEING COMPANY 2023-10-05 US disclosed
US-11718707-B2 Epoxy resin THE BOEING COMPANY (US) 2023-08-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11718707-B2 Epoxy resin EPHX2, EPHX1, CBR1 ALDH1A1 636/4885LMNA 954/4885SRD5A2 1255/4885
US-20230312812-A1 EPOXY RESIN EPHX2, EPHX1, CBR1 ALDH1A1 636/4885LMNA 954/4885SRD5A2 1255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.